General Information of the Compound
| Compound ID |
CP0501831
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-Chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydro-1H-benzo[7,8]cycloocta[1,2-c]pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25Cl3N4O
|
||||||||||||||||||
| Molecular Weight |
503.861
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCCc3cc(Cl)ccc3-c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25Cl3N4O/c26-17-8-10-19-16(14-17)6-2-3-7-20-23(25(33)30-31-12-4-1-5-13-31)29-32(24(19)20)22-11-9-18(27)15-21(22)28/h8-11,14-15H,1-7,12-13H2,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UKLKVOUOPCWDIK-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2